REMARK  Name = BDB053095
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.172  -1.119  -1.882  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -4.256  -0.705  -0.767  0.00  0.00    -0.050 A 
ATOM      3  C   LIG    1       -2.961  -1.245  -0.676  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1       -2.080  -0.867   0.348  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -0.721  -1.434   0.521  0.00  0.00    +0.052 C 
ATOM      6  N   LIG    1       -0.376  -2.743   0.136  0.00  0.00    -0.272 N 
ATOM      7  C   LIG    1       -1.346  -3.817  -0.111  0.00  0.00    +0.138 C 
ATOM      8  C   LIG    1        0.909  -3.190   0.276  0.00  0.00    +0.221 A 
ATOM      9  N   LIG    1        1.869  -2.372   0.808  0.00  0.00    -0.221 N 
ATOM     10  N   LIG    1        3.039  -3.025   0.987  0.00  0.00    -0.156 NA
ATOM     11  C   LIG    1        2.739  -4.215   0.462  0.00  0.00    +0.247 A 
ATOM     12  C   LIG    1        1.639  -0.992   1.236  0.00  0.00    +0.172 C 
ATOM     13  N   LIG    1        1.451  -4.361   0.023  0.00  0.00    -0.201 NA
ATOM     14  C   LIG    1        0.174  -0.598   1.094  0.00  0.00    +0.026 C 
ATOM     15  C   LIG    1       -0.253   0.697   1.752  0.00  0.00    +0.234 C 
ATOM     16  O   LIG    1       -1.646   0.724   2.128  0.00  0.00    -0.479 OA
ATOM     17  C   LIG    1       -2.489   0.163   1.205  0.00  0.00    +0.131 A 
ATOM     18  C   LIG    1       -3.773   0.702   1.137  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -4.657   0.266   0.153  0.00  0.00    +0.007 A 
ENDROOT
BRANCH  12  20
ATOM     20  C   LIG    1        2.582  -0.056   0.485  0.00  0.00    -0.019 A 
ATOM     21  C   LIG    1        2.513   0.086  -0.914  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        3.343   0.991  -1.579  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        4.253   1.755  -0.855  0.00  0.00    +0.018 A 
ATOM     24 BR   LIG    1        5.356   3.001  -1.752  0.00  0.00    -0.050 Br
ATOM     25  C   LIG    1        4.355   1.612   0.527  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        3.525   0.708   1.194  0.00  0.00    +0.007 A 
ENDBRANCH  12  20
BRANCH  15  27
ATOM     27  C   LIG    1        0.104   1.979   1.010  0.00  0.00    -0.003 A 
ATOM     28  C   LIG    1       -0.221   2.174  -0.344  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        0.150   3.346  -1.008  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1        0.840   4.340  -0.322  0.00  0.00    +0.018 A 
ATOM     31 BR   LIG    1        1.364   5.914  -1.227  0.00  0.00    -0.050 Br
ATOM     32  C   LIG    1        1.147   4.183   1.026  0.00  0.00    +0.015 A 
ATOM     33  C   LIG    1        0.774   3.011   1.690  0.00  0.00    +0.008 A 
ENDBRANCH  15  27
TORSDOF 2